>compound 3-Hydroxy-3-methylglutarate_3-Hydroxy-3-methylglutarate
#instrument UPLC Q-Tof Premier, Waters
>formula C6H10O5
#smiles OC(=O)CC(C)(O)CC(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100380.txt;LC-ESI-QTOF_train_data/PR100830.txt
>charge 1
>ionization [M+H]+
>parentmass 163.06062

>collision 5-60
73.0474 28.06
99.0447 20.77
103.0396 23.37
127.0376 18.88
133.0502 77.74
149.0448 45.29
163.0606 49.71

>collision 5-60
57.036 38.47
99.045 203.2
101.0238 57.91
143.8891 33.9
160.8419 139.8
160.8917 76.26
161.045 124.3

